Information card for entry 7239073

Structure parameters

• Formula: C11 H10 Br N3 O
• Calculated formula: C11 H10 Br N3 O
• Title of publication: Enantioselective Strecker-type reaction between azomethine imines and trimethylsilyl cyanide catalyzed by a cinchona alkaloid-derived thiourea bearing multiple hydrogen-bonding donors
• Authors of publication: Li, Nai-Kai; Liu, Zhao-Min; Huang, Xiao-Fei; Zhang, Jin-Xin; Chen, Xiang; Wang, Yong; Wang, Xing-Wang
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 24
• Pages of publication: 9154
• a: 5.5927 ± 0.001 Å
• b: 9.9073 ± 0.0017 Å
• c: 11.448 ± 0.002 Å
• α: 113.882 ± 0.004°
• β: 91.874 ± 0.004°
• γ: 99.063 ± 0.004°
• Cell volume: 569.49 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No